SCHEMBL12373979

SCHEMBL12373979

Cc1nc(-c2ccc(C3=CCNCC3)cc2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
QDPR P09417 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
KHK P50053 6/20 0.42
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39
NAMPT P43490 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2280238 0.99 HTR2C (0.49) HTR2CQDPRSIGMAR1KHKTGFBR1
SCHEMBL27025927 0.89 NR1H2 (0.51) HTR2CQDPRSIGMAR1KHK
SCHEMBL12373974 0.77 PSMB5 (0.39)
SCHEMBL12373870 0.75 HTR2C (0.49) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL2278255 0.74 HTR2C (0.50) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL20395786 0.74 HTR2C (0.50) HTR2CQDPRSIGMAR1KHK
SCHEMBL27007728 0.74 HTR2C (0.54) HTR2CQDPRSIGMAR1KHKTGFBR1
SCHEMBL4671168 0.72 HTR2C (0.66) HTR2CQDPRSIGMAR1KHKTGFBR1
SCHEMBL11996732 0.72 TDP2 (0.53)
SCHEMBL18121786 0.72 NOTUM (0.55) HTR2CQDPRSIGMAR1KHKNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HTR2C 3854/4885QDPR 598/4885SIGMAR1 1297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.